Zastosowanie symulacji molekularnych adsorpcji do modelowania przebiegu quasi-równowagowej termodesorpcji węglowodorów z materiałów mikroporowatych.

2018/28/T/ST5/00274

Descriptors

  • ST5_6: Materiały porowate
  • ST5_19: Metody badań właściwości materiałów
  • ST6_12: Obliczenia naukowe, narzędzia modelowania i symulacji

Panel

ST5 – Materials: materials synthesis, structure-properties relations, advanced and functional materials with designed properties, (macro)molecular architecture, material engineering

Host institution

Uniwersytet Jagielloński, Wydział Chemii

Voivodeship: małopolskie

Other projects carried out by the institution »

Principal investigator (from the host institution)

Andrzej Sławek

Number of co-investigators in the project: 2

Call

ETIUDA 6 – announced on 2017-12-15

Amount awarded
94 548 PLN
Project start date
2018-10-01
Project end date
2019-09-30
Project duration
12 months (the same as in the proposal)
Project status
Project settled

Project description

Download the project description in a pdf file

Note — project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.

Information in the final report

Publication in academic press/journals (5)

  1. Adsorption of Alkanes in Zeolites LTA and FAU: Quasi-Equilibrated Thermodesorption Supported by Molecular Simulations

    Authors:
    Sławek, A.; Vicent-Luna, J.M.; Ogorzały, K.; Valencia, S.; Rey, F.; Makowski, W.; Calero, S.
    Academic press:
    Journal of Physical Chemistry C (year: 2019, volume: 123, pages: 29665-29678), Publisher: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acs.jpcc.9b07907 – link to the publication
  2. Enhancing the Water Capacity in Zr-Based Metal–Organic Framework for Heat Pump and Atmospheric Water Generator Applications

    Authors:
    Luna-Triguero, A.; Sławek, A.; Huinink, H.P.; Vlugt, T.J.H.; Poursaeidesfahani, A.; Vicent-Luna, J.M.; Calero, S.
    Academic press:
    ACS Appied Nano Materials (year: 2019, volume: 2, pages: 3050-3059), Publisher: American Chemical Society
    Status:
    Published
    DOI:
    10.1021/acsanm.9b00416 – link to the publication
  3. Adsorption of n-alkanes in ZIF-8: Influence of crystal size and framework dynamics

    Authors:
    Sławek, A.; Roztocki, K.; Majda, D.; Jaskaniec, S.; Vlugt, T.J.H.; Makowski, W.
    Academic press:
    Microporous and Mesoporous Materials (year: 2021, volume: 312, pages: 110730-), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.micromeso.2020.110730 – link to the publication
  4. π-Complexation for olefin/paraffin separation using aluminosilicates

    Authors:
    Luna-Triguero, A.; Sławek, A.; Sánchez-de-Armas. R.; Gutiérrez-Sevillano, J.J; Ania, C.O.; Parra, J.B.; Vicent-Luna, J.M.; Calero, S.
    Academic press:
    Chemical Engineering Journal (year: 2020, volume: 380, pages: 122482), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.cej.2019.122482 – link to the publication
  5. Exploiting the π-bonding for the separation of benzene and cyclohexane in zeolites

    Authors:
    González-Galán, C.; Luna-Triguero, A.; Vicent-Luna, J.M.; Zaderenko, A.P.; Sławek, A.; Sánchez-de-Armas, R.; Calero, S.
    Academic press:
    Chemical Engineering Journal (year: 2020, volume: 398, pages: 125678), Publisher: Elsevier
    Status:
    Published
    DOI:
    10.1016/j.cej.2020.125678 – link to the publication

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Graphic design and implementation: Jakub Piotrowski